Vitas-M small molecule compound
1-[6-(3-bromo-5-ethoxy-4-methoxyphenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
Catalog ID
STK521004
SMILES CCOc1cc(cc(c1OC)Br)C1Oc2nc(SC)nnc2c2c(N1C(=O)CC)cccc2
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C23H23BrN4O4S MW 531.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23BrN4O4S/c1-5-18(29)28-16-10-8-7-9-14(16)19-21(25-23(33-4)27-26-19)32-22(28)13-11-15(24)20(30-3)17(12-13)31-6-2/h7-12,22H,5-6H2,1-4H3InChIKey
MYRPSSBBDKYWQP-UHFFFAOYSA-NSynonyms
1(6(3bromo5ethoxy4methoxyphenyl)3(methylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)propan1one
1(6(3BROMO5ETHOXY4METHOXYPHENYL)3METHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)PROPAN1ONE
6(3BROMO5ETHOXY4METHOXYPHENYL)3(METHYLSULFANYL)7PROPIONYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC(=C(C(=C4)Br)OC)OCC
InChI=1SC23H23BrN4O4Sc1518(29)28161087914(16)1921(2523(334)272619)3222(28)131115(24)20(303)17(1213)3162h71222H56H214H3
MFCD02376789
ZINC000000684434
ZINC000000684435
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